SCHEMBL296222

SCHEMBL296222

O=c1[nH]c(-c2ccc(O)cc2O)nc2ccc(Cl)cc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GUSB P08236 7/20 0.56
TNKS O95271 3/20 0.54
TNKS2 Q9H2K2 3/20 0.54
PARP1 P09874 3/20 0.54
KDM4E B2RXH2 2/20 0.51
HPGD P15428 1/20 0.51
AMY1A P0DUB6 2/20 0.49
TUBB4A P04350 2/20 0.46
TUBB P07437 2/20 0.46
TUBA3C P0DPH7 2/20 0.46
TUBA1B P68363 2/20 0.46
TUBA4A P68366 2/20 0.46
TUBB4B P68371 2/20 0.46
TUBB3 Q13509 2/20 0.46
TUBB2A Q13885 2/20 0.46
TUBB8 Q3ZCM7 2/20 0.46
TUBA3E Q6PEY2 2/20 0.46
TUBA1A Q71U36 2/20 0.46
TUBA1C Q9BQE3 2/20 0.46
TUBB6 Q9BUF5 2/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31066915 0.93 GUSB (0.60) GUSBTNKSTNKS2PARP1KDM4E
SCHEMBL18258703 0.93 GUSB (0.60) GUSBTNKSTNKS2PARP1KDM4E
SCHEMBL2370223 0.89 GUSB (0.59) GUSBTNKSTNKS2PARP1KDM4E
SCHEMBL29890298 0.89 GUSB (0.59) GUSBTNKSTNKS2PARP1KDM4E
SCHEMBL11243512 0.86 GUSB (0.70) GUSBTNKSTNKS2PARP1KDM4E
SCHEMBL18258696 0.86 GUSB (0.61) GUSBTNKSTNKS2PARP1KDM4E
Phosphoric Acid SCHEMBL3658256 0.84 GUSB (0.54) GUSBTNKSTNKS2PARP1KDM4E
Phosphoric Acid SCHEMBL3660040 0.83 GUSB (0.53) GUSBTNKSTNKS2PARP1KDM4E
SCHEMBL18258699 0.82 GUSB (0.78) GUSBTNKSTNKS2PARP1KDM4E
Phosphoric Acid SCHEMBL3660043 0.82 GUSB (0.52) GUSBTNKSTNKS2PARP1KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1828150-B1 PROCESSES FOR PRODUCING 4-AMINOQUINAZOLINES VERTEX PHARMA (US) 2012-03-14 EP disclosed